4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C14H23N3O2 — CID 120651755

IUPAC4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C14H23N3O2/c1-6-15-8(2)7-16-14(19)13-9(3)12(11(5)18)10(4)17-13/h8,15,17H,6-7H2,1-5H3,(H,16,19)/t8-/m1/s1
InChIKeyGOQVTGDEBDPQEM-MRVPVSSYSA-N
MW265.36 g/mol
LogP1.56
Rot. Bonds6

About 4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 120651755) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID120651755
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C14H23N3O2/c1-6-15-8(2)7-16-14(19)13-9(3)12(11(5)18)10(4)17-13/h8,15,17H,6-7H2,1-5H3,(H,16,19)/t8-/m1/s1
InChIKeyGOQVTGDEBDPQEM-MRVPVSSYSA-N
XLogP1.56
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-3-ethyl-N-[(2R)-2-(ethylamino)propyl]-5-methyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 120654198
4-acetyl-5-methyl-N-[2-(methylamino)propyl]-3-propyl-1H-pyrrole-2-carboxamide
CID 120829396
4-acetyl-N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 120507986
4-acetyl-3,5-dimethyl-N-[2-(4-methylpiperidin-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 51095665
4-acetyl-3,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-1H-pyrrole-2-carboxamide
CID 32895816
3-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 119237217
4-acetyl-3,5-dimethyl-N-(4-methyl-2-morpholin-4-ylpentyl)-1H-pyrrole-2-carboxamide
CID 18157774
4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 39214885
4-acetyl-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 47082113
(2S)-2-[[2-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695708
2-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 119136328
4-acetyl-3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-2-carboxamide
CID 119536524

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 120651755) is 4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CCN[C@H](C)CNC(=O)c1[nH]c(C)c(C(C)=O)c1C.
What is the InChIKey of 4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is GOQVTGDEBDPQEM-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-6-15-8(2)7-16-14(19)13-9(3)12(11(5)18)10(4)17-13/h8,15,17H,6-7H2,1-5H3,(H,16,19)/t8-/m1/s1.
What are the key properties of 4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 120651755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).